CAS 618-49-5 3-Hydroxybenzamide (HCID 342403)

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Basic information

CAS: 618-49-5
Standard SMILES: NC(=O)c1cccc(O)c1
InChIKey: NGMMGKYJUWYIIG-UHFFFAOYSA-N
Molecular formula: C7H7NO2
Average molar mass: 137.14 g/mol
Monoisotopic mass: 137.04767846

Names & identifiers

Preferred name: 3-Hydroxybenzamide
IUPAC: 3-hydroxybenzamide
English name: 3-Hydroxybenzamide
Molecular formula: C7H7NO2
Molecular weight: 137.14

Names & synonyms

3-hydroxybenzamide618-49-5DTXSID903216353-HYDROXY-BENZOIC ACID,AMIDERefChem:502523DTXCID50272755815-329-2InChI=1/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10benzamide, 3-hydroxy-3-Hydroxy-benzamideMFCD000175723-hydroxybenzenecarboxamide

Show more names

3- Hydroxy benzomideBenzamide, 3-hydroxy- (9CI)Deferasirox 3-Hydroxy benzamide Impurity1-phenyl-5-(4-phenylphenyl)-3-pyrazolecarboxylic acid methyl ester

CHEMBL419424NSC-379289m-hydroxybenzamideNSC3792893-OXIDANYLBENZAMIDE75X4NC5TNXOprea1_435073SCHEMBL161860

Database identifiers

CAS: 618-49-5
PubChem CID: 342403
DTXSID: DTXSID90321635
ChEMBL: CHEMBL419424
UNII: 75X4NC5TNX
EC Number: 815-329-2
Nikkaji: J94.904C

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point: 170 °C · 170 °C
Boiling point: 318.3 · 318.3±25.0 °C(Predicted)
Density: 1.449 g/cm3 · 1.449 g/cm3
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 9.26 · 9.26±0.10(Predicted)
color: White to Light yellow
FDA UNII: 75 X4NC5TNX · 75X4NC5TNX
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code: 2924.29.7790
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Hazard statements: H302-H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501